4K60
 
 | | Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ... | | Authors: | Collins, B.K, Padyana, A.K. | | Deposit date: | 2013-04-15 | | Release date: | 2013-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
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4NHB
 | | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate | | Descriptor: | IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-11-04 | | Release date: | 2013-11-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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6MOH
 | | Dimeric DARPin C_R3 complex with EpoR | | Descriptor: | Dimeric DARPin E2C (C_R3), Erythropoietin receptor, PHOSPHATE ION, ... | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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1HP1
 | | 5'-NUCLEOTIDASE (OPEN FORM) COMPLEX WITH ATP | | Descriptor: | 5'-NUCLEOTIDASE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ... | | Authors: | Knoefel, T, Straeter, N. | | Deposit date: | 2000-12-12 | | Release date: | 2002-03-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism of hydrolysis of phosphate esters by the dimetal center of 5'-nucleotidase based on crystal structures.
J.Mol.Biol., 309, 2001
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1HPJ
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3URB
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H | | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ... | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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3DQB
 | | Crystal structure of the active G-protein-coupled receptor opsin in complex with a C-terminal peptide derived from the Galpha subunit of transducin | | Descriptor: | 11meric peptide form Guanine nucleotide-binding protein G(t) subunit alpha-1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ... | | Authors: | Scheerer, P, Park, J.H, Hildebrand, P.W, Kim, Y.J, Krauss, N, Choe, H.-W, Hofmann, K.P, Ernst, O.P. | | Deposit date: | 2008-07-09 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of opsin in its G-protein-interacting conformation
Nature, 455, 2008
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3H8K
 | | Crystal structure of Ube2g2 complxed with the G2BR domain of gp78 at 1.8-A resolution | | Descriptor: | Autocrine motility factor receptor, isoform 2, Ubiquitin-conjugating enzyme E2 G2 | | Authors: | Kalathur, R.C, Das, R, Li, J, Byrd, R.A, Ji, X. | | Deposit date: | 2009-04-29 | | Release date: | 2009-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allosteric activation of E2-RING finger-mediated ubiquitylation by a structurally defined specific E2-binding region of gp78.
Mol.Cell, 34, 2009
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4L49
 | | Structure of L358A mutant of P450cam bound to camphor | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Batabyal, D, Li, H, Poulos, T.L. | | Deposit date: | 2013-06-07 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.128 Å) | | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1.
Biochemistry, 52, 2013
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6MOI
 | | Dimeric DARPin C_angle_R5 complex with EpoR | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dimeric DARPing CCR5 (C_angle_R5), ... | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.065 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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3URA
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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3URN
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-22 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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4UNR
 | | Mtb TMK in complex with compound 23 | | Descriptor: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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6MOE
 | | Monomeric DARPin E2 complex with EpoR | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E2 DARPin, ... | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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5IA1
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with MLN8054 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | | Deposit date: | 2016-02-21 | | Release date: | 2016-11-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.036 Å) | | Cite: | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
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1IT2
 | | Hagfish deoxy hemoglobin | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | | Authors: | Mito, M, Chong, K.T, Park, S.-Y, Tame, J.R. | | Deposit date: | 2002-01-05 | | Release date: | 2002-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of deoxy- and carbonmonoxyhemoglobin F1 from the hagfish Eptatretus burgeri
J.Biol.Chem., 277, 2002
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4L4B
 | | Structure of L358A/K178G/D182N mutant of P450cam bound to camphor | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Batabyal, D, Li, H, Poulos, T.L. | | Deposit date: | 2013-06-07 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1.
Biochemistry, 52, 2013
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4L3Q
 | | Crystal structure of glucokinase-activator complex | | Descriptor: | 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one, Glucokinase, alpha-D-glucopyranose | | Authors: | Gajiwala, K.S, Filipski, K.J. | | Deposit date: | 2013-06-06 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.
Bioorg.Med.Chem.Lett., 23, 2013
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1MN1
 | | MANGANESE PEROXIDASE SUBSTRATE BINDING SITE MUTANT D179N | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE PEROXIDASE, ... | | Authors: | Sundaramoorthy, M, Poulos, T.L. | | Deposit date: | 1997-04-26 | | Release date: | 1997-09-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of substrate binding site mutants of manganese peroxidase.
J.Biol.Chem., 272, 1997
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6CJI
 | | Candida albicans Hsp90 nucleotide binding domain | | Descriptor: | 1,2-ETHANEDIOL, Heat shock protein 90 homolog | | Authors: | Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-26 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
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3HLD
 | | Simvastatin Synthase (LovD), from Aspergillus terreus, S5 mutant complex with monacolin J acid | | Descriptor: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid, FORMIC ACID, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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4L4A
 | | Structure of L358A/K178G mutant of P450cam bound to camphor | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Batabyal, D, Li, H, Poulos, T.L. | | Deposit date: | 2013-06-07 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1.
Biochemistry, 52, 2013
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6MOL
 | | Monoextended DARPin M_R12 complex with EpoR | | Descriptor: | Erythropoietin receptor, GLYCEROL, Monoextended DARPin R12 (M_R12) | | Authors: | Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y. | | Deposit date: | 2018-10-04 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.163 Å) | | Cite: | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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1MNS
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4UNQ
 | | Mtb TMK in complex with compound 36 | | Descriptor: | 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE | | Authors: | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | Deposit date: | 2014-05-30 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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